Optimal pairwise and non-pairwise alchemical pathways for free energy calculations of molecular transformation in solution phase.
about
Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient samplingCalculation of Relative Binding Free Energy in the Water-Filled Active Site of Oligopeptide-Binding Protein A.Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database.On the determination of the crystal-vapor surface free energy, and why a Gaussian expression can be accurate for a system far from Gaussian.Estimating thermodynamic expectations and free energies in expanded ensemble simulations: Systematic variance reduction through conditioning.Comparison of free-energy methods using a tripeptide-water model system
P2860
Optimal pairwise and non-pairwise alchemical pathways for free energy calculations of molecular transformation in solution phase.
description
2012 nî lūn-bûn
@nan
2012 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի մարտին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Optimal pairwise and non-pairw ...... nsformation in solution phase.
@ast
Optimal pairwise and non-pairw ...... nsformation in solution phase.
@en
type
label
Optimal pairwise and non-pairw ...... nsformation in solution phase.
@ast
Optimal pairwise and non-pairw ...... nsformation in solution phase.
@en
prefLabel
Optimal pairwise and non-pairw ...... nsformation in solution phase.
@ast
Optimal pairwise and non-pairw ...... nsformation in solution phase.
@en
P2860
P356
P1476
Optimal pairwise and non-pairw ...... nsformation in solution phase.
@en
P2093
Tri T Pham
P2860
P304
P356
10.1063/1.3697833
P407
P577
2012-03-01T00:00:00Z